N-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-(5-ethyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-2-methyl-5-nitro-benzenesulfonamide Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C)OCC(C1=O)(C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C)OCC(C1=O)(C)C

InChI

InChI=1S/C20H23N3O6S/c1-5-22-16-9-7-14(10-17(16)29-12-20(3,4)19(22)24)21-30(27,28)18-11-15(23(25)26)8-6-13(18)2/h6-11,21H,5,12H2,1-4H3